SCHEMBL8968447

SCHEMBL8968447

N=c1c2c(Cl)cccc2nc2n1CCCCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ACHE P22303 4/20 0.56
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
BCHE P06276 3/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CFTR P13569 1/20 0.40
ALOX15 P16050 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
HSD17B10 Q99714 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8968557 0.99 POLB (0.56) POLBACHEMEN1KMT2AHDAC6
SCHEMBL8969257 0.94 POLB (0.50) POLBACHEMEN1KMT2AHDAC6
SCHEMBL8968614 0.83 ACHE (0.56) POLBACHEMEN1KMT2AHDAC6
SCHEMBL8968279 0.83 ACHE (0.50) POLBACHEMEN1KMT2AHDAC6
SCHEMBL8969029 0.83 ACHE (0.50) POLBACHEMEN1KMT2AHDAC6
SCHEMBL8968573 0.83 POLB (0.65) POLBACHEMEN1KMT2AHDAC6
SCHEMBL8968470 0.83 ACHE (0.64) POLBACHEMEN1KMT2AHDAC6
SCHEMBL8968889 0.83 ACHE (0.50) POLBACHEMEN1KMT2AHDAC6
SCHEMBL8970467 0.82 ACHE (0.48) POLBACHEMEN1KMT2AHDAC6
SCHEMBL8969554 0.82 ACHE (0.61) POLBACHEMEN1KMT2AHDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed